N-(oxolan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide

C21H22N2O4S — CID 2989793

IUPACN-(oxolan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
SMILESO=c1[nH]c2ccccc2cc1CN(CC1CCCO1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H22N2O4S/c24-21-17(13-16-7-4-5-11-20(16)22-21)14-23(15-18-8-6-12-27-18)28(25,26)19-9-2-1-3-10-19/h1-5,7,9-11,13,18H,6,8,12,14-15H2,(H,22,24)
InChIKeyFYVXLOVFZXHFLJ-UHFFFAOYSA-N
MW398.48 g/mol
LogP2.90
Rot. Bonds6

About N-(oxolan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide

N-(oxolan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide (PubChem CID 2989793) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
PubChem CID2989793
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC NameN-(oxolan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
SMILESO=c1[nH]c2ccccc2cc1CN(CC1CCCO1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H22N2O4S/c24-21-17(13-16-7-4-5-11-20(16)22-21)14-23(15-18-8-6-12-27-18)28(25,26)19-9-2-1-3-10-19/h1-5,7,9-11,13,18H,6,8,12,14-15H2,(H,22,24)
InChIKeyFYVXLOVFZXHFLJ-UHFFFAOYSA-N
XLogP2.90
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide (CID 2989793) is N-(oxolan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide is O=c1[nH]c2ccccc2cc1CN(CC1CCCO1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
The InChIKey is FYVXLOVFZXHFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c24-21-17(13-16-7-4-5-11-20(16)22-21)14-23(15-18-8-6-12-27-18)28(25,26)19-9-2-1-3-10-19/h1-5,7,9-11,13,18H,6,8,12,14-15H2,(H,22,24).
What are the key properties of N-(oxolan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
N-(oxolan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide has a molecular weight of 398.48 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 2989793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).